Agn-PC-0loju7
4-[10-cyclopentylsulfanyl-16-(4-hydroxybutyl)-12-phenylmethoxyimino-4,9-bis(prop-2-enoxy)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-15-yl]butan-1-ol
Also Known As: AGN-PC-0LOJU7|CLL1_000053|4,4'-{4-[(Benzyloxy)imino]-6-(cyclopentylsulfanyl)-6a,10-bis[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthene-1,2-diyl}di(butan-1-ol)
| Molecular Formula | C42H55NO6S |
|---|---|
| Molecular Weight | 701.375 g/mol |
| LogP | 8.761 |
| Topological Polar Surface Area | 89.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 701.375 |
| Monoisotopic Mass | 701.375 |
| Heavy Atoms | 50 |
| Complexity | 1471.8423 |
Chemical Identifiers
| CAS Number | 5196-98-5 |
|---|---|
| SMILES | C=CCOC1=CC2=C(C=C1)OC3(C(CC(=NOCC4=CC=CC=C4)C5=CC(C(C2C53)CCCCO)CCCCO)SC6CCCC6)OCC=C |
Product Overview
Agn-PC-0loju7 (CAS 5196-98-5), with molecular formula C42H55NO6S and molecular weight 701.375 g/mol. IUPAC: 4-[10-cyclopentylsulfanyl-16-(4-hydroxybutyl)-12-phenylmethoxyimino-4,9-bis(prop-2-enoxy)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-15-yl]butan-1-ol.
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